Bicarbonate Ion → methyl N-[2-methyl-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]benzoyl]carbamate

HRID 2148779Notes

Reaction equation

HRID 2148779 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cl:18][N:19]1[C:20](=[O:21])[CH2:22][CH2:23][C:24]1=[O:25].[Cl:26][c:27]1[cH:28][c:29]([C:35](=[CH2:36])[C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([Cl:34])[c:32]1[Cl:33].[K+:45].[OH2:52].[OH:1][N:2]=[CH:3][c:4]1[cH:5][c:6]([CH3:17])[c:7]([C:8](=[O:9])[NH:10][C:11]([O:12][CH3:13])=[O:14])[cH:15][cH:16]1>>[O:1]1[N:2]=[C:3]([c:4]2[cH:5][c:6]([CH3:17])[c:7]([C:8](=[O:9])[NH:10][C:11]([O:12][CH3:13])=[O:14])[cH:15][cH:16]2)[CH2:36][C:35]1([c:29]1[cH:28][c:27]([Cl:26])[c:32]([Cl:33])[c:31]([Cl:34])[cH:30]1)[C:37]([F:38])([F:39])[F:40]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 31398ChlorosuccinimideHCID 498201551,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 86654469methyl N-[4-hydroxyiminomethyl-2-methylbenzoyl]carbamate

Product 1

HCID 86654471methyl N-[2-methyl-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]benzoyl]carbamate

Sources & evidence

ORD record
ord-ee1abcb92b064db689b7274a0341da38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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